| SpectraBase Compound ID | Gb5wc5CN1pz |
|---|---|
| InChI | InChI=1S/C9H7FO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12) |
| InChIKey | SFUQWJIUIYAPDJ-UHFFFAOYSA-N |
| Mol Weight | 198.15 g/mol |
| Molecular Formula | C9H7FO4 |
| Exact Mass | 198.032837 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2ddzJGcUoZT |
|---|---|
| Name | 3-Fluoro-5-(methoxycarbonyl)benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.032836864 u |
| Formula | C9H7FO4 |
| InChI | InChI=1S/C9H7FO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12) |
| InChIKey | SFUQWJIUIYAPDJ-UHFFFAOYSA-N |
| Molecular Weight | 198.149 g/mol |
| SMILES | C(C1=CC(=CC(=C1)C(=O)OC)F)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984779 |